N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide

C18H22FN3O3S2 — CID 42929202

IUPACN-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H22FN3O3S2/c1-13(18(23)20-16-5-2-4-14(19)12-16)22-9-7-15(8-10-22)21-27(24,25)17-6-3-11-26-17/h2-6,11-13,15,21H,7-10H2,1H3,(H,20,23)
InChIKeyRVMBQFCTMVYJPT-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.66
Rot. Bonds6

About N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide

N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide (PubChem CID 42929202) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide
PubChem CID42929202
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC NameN-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H22FN3O3S2/c1-13(18(23)20-16-5-2-4-14(19)12-16)22-9-7-15(8-10-22)21-27(24,25)17-6-3-11-26-17/h2-6,11-13,15,21H,7-10H2,1H3,(H,20,23)
InChIKeyRVMBQFCTMVYJPT-UHFFFAOYSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide (CID 42929202) is N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide is CC(C(=O)Nc1cccc(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide?
The InChIKey is RVMBQFCTMVYJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c1-13(18(23)20-16-5-2-4-14(19)12-16)22-9-7-15(8-10-22)21-27(24,25)17-6-3-11-26-17/h2-6,11-13,15,21H,7-10H2,1H3,(H,20,23).
What are the key properties of N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide?
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide has a molecular weight of 411.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 42929202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).